2-[5-[(4-cyanophenoxy)methyl]-2-(naphthalen-2-ylmethyl)-3-oxidanylidene-1H-isoindol-1-yl]ethanoic acid

Systemtic Name: 2-[5-[(4-cyanophenoxy)methyl]-2-(naphthalen-2-ylmethyl)-3-oxidanylidene-1H-isoindol-1-yl]ethanoic acid Openeye Name: 2-[5-[(4-cyanophenoxy)methyl]-2-(2-naphthylmethyl)-3-oxo-isoindolin-1-yl]acetic acid CAS Name: 2-[5-[(4-cyanophenoxy)methyl]-2-(2-naphthalenylmethyl)-3-oxo-1H-isoindol-1-yl]acetic acid IUPAC Name: 2-[5-[(4-cyanophenoxy)methyl]-2-(naphthalen-2-ylmethyl)-3-oxo-1H-isoindol-1-yl]acetic acid Traditional Name: 2-[5-[(4-cyanophenoxy)methyl]-3-keto-2-(2-naphthylmethyl)isoindolin-1-yl]acetic acid Formula: C29H22N2O4 MolecularWeight: 462.49598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CN3C(C4=C(C3=O)C=C(C=C4)COC5=CC=C(C=C5)C#N)CC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CN3C(C4=C(C3=O)C=C(C=C4)COC5=CC=C(C=C5)C#N)CC(=O)O

InChI

InChI=1S/C29H22N2O4/c30-16-19-6-10-24(11-7-19)35-18-21-8-12-25-26(14-21)29(34)31(27(25)15-28(32)33)17-20-5-9-22-3-1-2-4-23(22)13-20/h1-14,27H,15,17-18H2,(H,32,33)